(3R)-N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-1-(3-methoxypropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

C20H28N2O4 — CID 92607441

IUPAC(3R)-N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-1-(3-methoxypropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCOCCCN1C[C@H](C(=O)N(C)C[C@H]2OCCc3ccccc32)CC1=O
InChIInChI=1S/C20H28N2O4/c1-21(14-18-17-7-4-3-6-15(17)8-11-26-18)20(24)16-12-19(23)22(13-16)9-5-10-25-2/h3-4,6-7,16,18H,5,8-14H2,1-2H3/t16-,18-/m1/s1
InChIKeyBSVOQLWUQUQKJS-SJLPKXTDSA-N
MW360.45 g/mol
LogP1.64
Rot. Bonds7

About (3R)-N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-1-(3-methoxypropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

(3R)-N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-1-(3-methoxypropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 92607441) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is (3R)-N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-1-(3-methoxypropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-1-(3-methoxypropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID92607441
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name(3R)-N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-1-(3-methoxypropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCOCCCN1C[C@H](C(=O)N(C)C[C@H]2OCCc3ccccc32)CC1=O
InChIInChI=1S/C20H28N2O4/c1-21(14-18-17-7-4-3-6-15(17)8-11-26-18)20(24)16-12-19(23)22(13-16)9-5-10-25-2/h3-4,6-7,16,18H,5,8-14H2,1-2H3/t16-,18-/m1/s1
InChIKeyBSVOQLWUQUQKJS-SJLPKXTDSA-N
XLogP1.64
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-1-(3-methoxypropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113182506
(3S)-N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 95273672
1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 83193190
1-(3-methoxypropyl)-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 113182555
methyl 2-[3,4-dihydro-1H-isochromen-1-ylmethyl(methyl)amino]acetate
CID 62737324
N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3,4,5-trifluoro-N-methylbenzamide
CID 95292524
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N,2,5-trimethyl-1H-imidazole-4-carboxamide
CID 138036603
N-(2-hydroxypropyl)-1-(2-methoxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 62333500
N-benzyl-N-methyl-5-oxo-1-pentylpyrrolidine-3-carboxamide
CID 46110151
(3S)-3-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl-methylamino]-1-propan-2-ylpyrrolidin-2-one
CID 99107172
1-(3,4-dihydro-1H-isochromen-1-yl)-5-methoxypentan-2-amine
CID 65091802
3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 60989328

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-1-(3-methoxypropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-1-(3-methoxypropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 92607441) is (3R)-N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-1-(3-methoxypropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-1-(3-methoxypropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-1-(3-methoxypropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is COCCCN1C[C@H](C(=O)N(C)C[C@H]2OCCc3ccccc32)CC1=O.
What is the InChIKey of (3R)-N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-1-(3-methoxypropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BSVOQLWUQUQKJS-SJLPKXTDSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-21(14-18-17-7-4-3-6-15(17)8-11-26-18)20(24)16-12-19(23)22(13-16)9-5-10-25-2/h3-4,6-7,16,18H,5,8-14H2,1-2H3/t16-,18-/m1/s1.
What are the key properties of (3R)-N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-1-(3-methoxypropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-1-(3-methoxypropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 360.45 g/mol, XLogP of 1.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-1-(3-methoxypropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 92607441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).